2-[3-[2-(3,4-diethoxyphenyl)ethylamino]-3-oxopropyl]pyrazole-3-carboxylic acid

C19H25N3O5 — CID 19492161

IUPAC2-[3-[2-(3,4-diethoxyphenyl)ethylamino]-3-oxopropyl]pyrazole-3-carboxylic acid
SMILESCCOc1ccc(CCNC(=O)CCn2nccc2C(=O)O)cc1OCC
InChIInChI=1S/C19H25N3O5/c1-3-26-16-6-5-14(13-17(16)27-4-2)7-10-20-18(23)9-12-22-15(19(24)25)8-11-21-22/h5-6,8,11,13H,3-4,7,9-10,12H2,1-2H3,(H,20,23)(H,24,25)
InChIKeyGONNWUJQTYVXKH-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.13
Rot. Bonds11

About 2-[3-[2-(3,4-diethoxyphenyl)ethylamino]-3-oxopropyl]pyrazole-3-carboxylic acid

2-[3-[2-(3,4-diethoxyphenyl)ethylamino]-3-oxopropyl]pyrazole-3-carboxylic acid (PubChem CID 19492161) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-[3-[2-(3,4-diethoxyphenyl)ethylamino]-3-oxopropyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-[3-[2-(3,4-diethoxyphenyl)ethylamino]-3-oxopropyl]pyrazole-3-carboxylic acid
PubChem CID19492161
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Name2-[3-[2-(3,4-diethoxyphenyl)ethylamino]-3-oxopropyl]pyrazole-3-carboxylic acid
SMILESCCOc1ccc(CCNC(=O)CCn2nccc2C(=O)O)cc1OCC
InChIInChI=1S/C19H25N3O5/c1-3-26-16-6-5-14(13-17(16)27-4-2)7-10-20-18(23)9-12-22-15(19(24)25)8-11-21-22/h5-6,8,11,13H,3-4,7,9-10,12H2,1-2H3,(H,20,23)(H,24,25)
InChIKeyGONNWUJQTYVXKH-UHFFFAOYSA-N
XLogP2.13
TPSA102.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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3-(4-chlorophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
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N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
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CID 86912624
N-[2-(3,4-diethoxyphenyl)ethyl]-3-(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)propanamide
CID 46274023
2-[2-oxo-2-(2-phenylethylamino)ethyl]pyrazole-3-carboxylic acid
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N-[2-(3,4-diethoxyphenyl)ethyl]-2-pyrazol-1-ylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(3,4-diethoxyphenyl)ethylamino]-3-oxopropyl]pyrazole-3-carboxylic acid?
The IUPAC name of 2-[3-[2-(3,4-diethoxyphenyl)ethylamino]-3-oxopropyl]pyrazole-3-carboxylic acid (CID 19492161) is 2-[3-[2-(3,4-diethoxyphenyl)ethylamino]-3-oxopropyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-[3-[2-(3,4-diethoxyphenyl)ethylamino]-3-oxopropyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 2-[3-[2-(3,4-diethoxyphenyl)ethylamino]-3-oxopropyl]pyrazole-3-carboxylic acid is CCOc1ccc(CCNC(=O)CCn2nccc2C(=O)O)cc1OCC.
What is the InChIKey of 2-[3-[2-(3,4-diethoxyphenyl)ethylamino]-3-oxopropyl]pyrazole-3-carboxylic acid?
The InChIKey is GONNWUJQTYVXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-3-26-16-6-5-14(13-17(16)27-4-2)7-10-20-18(23)9-12-22-15(19(24)25)8-11-21-22/h5-6,8,11,13H,3-4,7,9-10,12H2,1-2H3,(H,20,23)(H,24,25).
What are the key properties of 2-[3-[2-(3,4-diethoxyphenyl)ethylamino]-3-oxopropyl]pyrazole-3-carboxylic acid?
2-[3-[2-(3,4-diethoxyphenyl)ethylamino]-3-oxopropyl]pyrazole-3-carboxylic acid has a molecular weight of 375.43 g/mol, XLogP of 2.13, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(3,4-diethoxyphenyl)ethylamino]-3-oxopropyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 19492161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).